4-Phenyl-1,2,3-triazoline-3,5-dione


Chemical Name: 4-Phenyl-1,2,3-triazoline-3,5-dione
CAS Number: 4233-33-4
Product Number: AG00344V(AGN-PC-0WAJTD)
Synonyms:
MDL No:
Molecular Formula: C8H5N3O2
Molecular Weight: 175.1442

Identification/Properties


Properties
MP:
165-170 °C (dec.)(lit.)
BP:
263.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
175.147g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
175.038g/mol
Monoisotopic Mass:
175.038g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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